REMARK VINA RESULT: -4.6 3.461 5.711 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 35.445 -35.188 -44.955 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 35.659 -37.469 -44.364 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 39.446 -34.989 -46.231 0.00 0.00 0.103 C ATOM 4 C UNL d 1 37.539 -36.298 -45.338 0.00 0.00 0.042 C ATOM 5 C UNL d 1 38.869 -36.212 -45.862 0.00 0.00 0.057 C ATOM 6 C UNL d 1 38.688 -33.839 -45.976 0.00 0.00 0.103 C ATOM 7 C UNL d 1 36.733 -35.162 -45.317 0.00 0.00 0.075 C ATOM 8 C UNL d 1 37.333 -33.954 -45.602 0.00 0.00 0.072 C ATOM 9 C UNL d 1 36.954 -37.425 -44.733 0.00 0.00 0.142 C ATOM 10 C UNL d 1 34.951 -36.358 -44.533 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 40.728 -34.905 -46.753 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 41.069 -35.927 -47.708 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 40.565 -35.687 -49.145 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 39.477 -36.559 -49.808 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 38.543 -37.346 -48.972 0.00 0.00 0.092 N ATOM 16 C UNL d 1 38.426 -38.757 -49.398 0.00 0.00 0.298 C ATOM 17 C UNL d 1 37.827 -38.922 -50.803 0.00 0.00 0.198 C ATOM 18 O UNL d 1 36.523 -38.333 -50.893 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 36.527 -36.960 -50.479 0.00 0.00 0.198 C ATOM 20 C UNL d 1 37.154 -36.790 -49.079 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 39.085 -32.530 -46.033 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 39.047 -31.893 -47.299 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 37.789 -38.487 -44.334 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 38.586 -38.185 -43.801 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 37.856 -39.769 -44.900 0.00 0.00 0.035 A ATOM 26 C UNL d 1 38.770 -40.083 -45.920 0.00 0.00 0.056 A ATOM 27 C UNL d 1 38.803 -41.360 -46.485 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 39.951 -41.709 -47.720 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 37.908 -42.326 -46.050 0.00 0.00 0.138 A ATOM 30 F UNL d 1 37.928 -43.563 -46.568 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 36.967 -42.025 -45.070 0.00 0.00 0.046 A ATOM 32 C UNL d 1 36.935 -40.749 -44.504 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8